1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide Openeye Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide CAS Name: 1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-N-(5-methyl-3-isoxazolyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(5-methylisoxazol-3-yl)isonipecotamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C18H18BrN5O2S/c1-11-10-16(23-26-11)20-18(25)12-6-8-24(9-7-12)17-5-2-13(21-22-17)14-3-4-15(19)27-14/h2-5,10,12H,6-9H2,1H3,(H,20,23,25)